SCHEMBL24977611

SCHEMBL24977611

COc1c(C)ccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1C(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.37
PIK3CD O00329 1/20 0.37
KCNA3 P22001 1/20 0.36
DRD2 P14416 3/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
BTK Q06187 2/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24977609 0.86 KDM1A (0.40) GPR6PIK3CDDRD2KDM1AMAOB
SCHEMBL30634777 0.83 PIK3CD (0.40) PIK3CDKCNA3DRD2KDM1AMAOB
SCHEMBL31507323 0.83 PIK3CD (0.40) PIK3CDKCNA3DRD2KDM1AMAOB
SCHEMBL25937375 0.80 GPR6 (0.36) GPR6DRD2KMT2APDE4B
SCHEMBL24977756 0.80 PIK3CD (0.37) PIK3CDKCNA3DRD2KDM1AMAOB
SCHEMBL30101679 0.79 CACNB4 (0.38) GPR6PIK3CDDRD2KDM1AMAOB
SCHEMBL24977320 0.79 CACNB4 (0.39) PIK3CDDRD2KDM1AMAOBBTK
SCHEMBL31507320 0.79 PIK3CD (0.42) PIK3CDDRD2BTKCTSKJAK2
SCHEMBL30634788 0.79 PIK3CD (0.42) PIK3CDDRD2BTKCTSKJAK2
SCHEMBL31507332 0.78 PIK3CD (0.38) PIK3CDDRD2BTKCACNB4CACNA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2026-01-20 US disclosed
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP disclosed
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 GPR6 3985/4885PIK3CD 836/4885KCNA3 4773/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 GPR6 3985/4885PIK3CD 836/4885KCNA3 4773/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 GPR6 3985/4885PIK3CD 836/4885KCNA3 4773/4885
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, RAD1, CHEK2 GPR6 406/4885PIK3CD 934/4885KCNA3 3685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.